2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium
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![2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4b282d0c047441678a21f8f5f4eb8744.png "2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium")
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium
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CAS No:
34935-38-1
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Formula:
C24H26N2O3S3
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Chemical Name:
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium
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Synonyms:
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium;2-[3-(3-Ethylbenzothiazol-2(3H)-ylidene)-2-methyl-1-propenyl]-3-(3-sulfonatobutyl)benzothiazol-3-ium;4-{2-[(1E,3Z)-3-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)-2-METHYL-1-PROPENYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL}-2-BUTANESULFONATE
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CAS No:
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium Basic Attributes
486.66
486.11055622 g/mol
252-296-8
TSCA listed
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium Use and Manufacturing
Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt: ACTIVE
Computed Properties
Molecular Weight:486.7
XLogP3:6.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:486.11055622
Monoisotopic Mass:486.11055622
Topological Polar Surface Area:126
Heavy Atom Count:32
Complexity:810
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium
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